1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene

C10F20 — CID 527537

IUPAC1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
SMILESFC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F20/c11-2(5(15,16)17)1(4(12,13)14)3(8(22,23)24,6(18,19)9(25,26)27)7(20,21)10(28,29)30
InChIKeyWUPIJZMVJFXUOO-UHFFFAOYSA-N
MW500.07 g/mol
LogP7.28
Rot. Bonds3

About 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene

1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene (PubChem CID 527537) has the molecular formula C10F20 and a molecular weight of 500.07 g/mol. Its IUPAC name is 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
PubChem CID527537
Molecular FormulaC10F20
Molecular Weight500.07 g/mol
Exact Mass499.97
IUPAC Name1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
SMILESFC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F20/c11-2(5(15,16)17)1(4(12,13)14)3(8(22,23)24,6(18,19)9(25,26)27)7(20,21)10(28,29)30
InChIKeyWUPIJZMVJFXUOO-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.07
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5,5-Hexakis(trifluoromethyl)-1,3-cyclopentadiene
CID 11762501
Perfluoro-2,6,6-trimethyl-2-heptene
CID 12660884
Perfluoro-2,5,5-trimethyl-2-hexene
CID 12860796
1,2,3,3,4,4-Hexakis(trifluoromethyl)cyclobutene
CID 139264064
2-Hexene, 4-ethyl, 3,4-dimethyl, perfluoro-
CID 5352546
3-Hexene, 3,4-dimethyl, perfluoro-
CID 5352547
3,3-Difluoro-1-(1,1,2,2,2-pentafluoroethyl)-2,4,4-tris(trifluoromethyl)cyclobutene
CID 12708036
(4E)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
CID 12710296
(Z)-1,1,1,2,4,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-2-ene
CID 21732800
(4Z)-1-fluoro-4-[1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-ylidene]-2,3,3-tris(trifluoromethyl)cyclobutene
CID 21732860
1,1,1,3,5,5,6,6,6-Nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-2,4-bis(trifluoromethyl)hex-2-ene
CID 19047903
(E)-1,1,1,2,5,5,6,6,7,7,8,8,8-tridecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)oct-2-ene
CID 20384747

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
The IUPAC name of 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene (CID 527537) is 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
The canonical SMILES for 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene is FC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
The InChIKey is WUPIJZMVJFXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20/c11-2(5(15,16)17)1(4(12,13)14)3(8(22,23)24,6(18,19)9(25,26)27)7(20,21)10(28,29)30.
What are the key properties of 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene has a molecular weight of 500.07 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,5,5,6,6,6-nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 527537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).